3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid

C13H24N2O4Si — CID 132594145

IUPAC3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid
SMILESC=CCNC1(C(=O)O)CN(C(=O)OCC[Si](C)(C)C)C1
InChIInChI=1S/C13H24N2O4Si/c1-5-6-14-13(11(16)17)9-15(10-13)12(18)19-7-8-20(2,3)4/h5,14H,1,6-10H2,2-4H3,(H,16,17)
InChIKeyGQUQQXKSLHVUQI-UHFFFAOYSA-N
MW300.43 g/mol
LogP1.38
Rot. Bonds7

About 3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid

3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid (PubChem CID 132594145) has the molecular formula C13H24N2O4Si and a molecular weight of 300.43 g/mol. Its IUPAC name is 3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid.

Molecular Properties

Compound Name3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid
PubChem CID132594145
Molecular FormulaC13H24N2O4Si
Molecular Weight300.43 g/mol
Exact Mass300.15
IUPAC Name3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid
SMILESC=CCNC1(C(=O)O)CN(C(=O)OCC[Si](C)(C)C)C1
InChIInChI=1S/C13H24N2O4Si/c1-5-6-14-13(11(16)17)9-15(10-13)12(18)19-7-8-20(2,3)4/h5,14H,1,6-10H2,2-4H3,(H,16,17)
InChIKeyGQUQQXKSLHVUQI-UHFFFAOYSA-N
XLogP1.38
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.43
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid?
The IUPAC name of 3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid (CID 132594145) is 3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid.
What is the SMILES notation for 3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid?
The canonical SMILES for 3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid is C=CCNC1(C(=O)O)CN(C(=O)OCC[Si](C)(C)C)C1.
What is the InChIKey of 3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid?
The InChIKey is GQUQQXKSLHVUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4Si/c1-5-6-14-13(11(16)17)9-15(10-13)12(18)19-7-8-20(2,3)4/h5,14H,1,6-10H2,2-4H3,(H,16,17).
What are the key properties of 3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid?
3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid has a molecular weight of 300.43 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(prop-2-enylamino)-1-(2-trimethylsilylethoxycarbonyl)azetidine-3-carboxylic acid is sourced from PubChem (CID 132594145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).